Chemical Properties of Phenylpropanolamine, N,O-bis(heptafluorobutyryl) deriv.

Phenylpropanolamine, N,O-bis(heptafluorobutyryl) deriv.

InChI
InChI=1S/C17H11F14NO3/c1-7(32-10(33)12(18,19)14(22,23)16(26,27)28)9(8-5-3-2-4-6-8)35-11(34)13(20,21)15(24,25)17(29,30)31/h2-7,9H,1H3,(H,32,33)
InChI Key
BNYQVYZZVBQKLC-UHFFFAOYSA-N
Formula
C17H11F14NO3
SMILES
CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
Molecular Weight1
543.25
Other Names
  • Phenylpropanolamine, HFB
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Physical Properties

Property Value Unit Source
ω 0.7319 Relay (1.0) Calculated Property
ΔfG° -2783.96 kJ/mol Joback Calculated Property
ΔfH°gas -3427.32 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.90 kJ/mol Joback Calculated Property
ΔvapH° 92.78 kJ/mol Relay (1.0) Calculated Property
IE 9.81 eV Relay (1.0) Calculated Property
log10WS -6.69 Relay (1.0) Calculated Property
logPoct/wat 5.441 Crippen Calculated Property
McVol 270.400 ml/mol McGowan Calculated Property
Pc 1191.52 kPa Joback Calculated Property
Tboil 537.06 K Relay (1.0) Calculated Property
Tc 716.75 K Relay (1.0) Calculated Property
Tfus 367.39 K Relay (1.0) Calculated Property
Vc 1.014 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [853.87; 906.67] J/mol×K [764.89; 940.93] Show Hide
Cp,gas 853.87 J/mol×K 764.89 Joback Calculated Property
Cp,gas 864.57 J/mol×K 794.23 Joback Calculated Property
Cp,gas 874.37 J/mol×K 823.57 Joback Calculated Property
Cp,gas 883.39 J/mol×K 852.91 Joback Calculated Property
Cp,gas 891.71 J/mol×K 882.25 Joback Calculated Property
Cp,gas 899.43 J/mol×K 911.59 Joback Calculated Property
Cp,gas 906.67 J/mol×K 940.93 Joback Calculated Property

Similar Compounds

Ephedrine,N,O-bis(heptafluorobutyryl) deriv.. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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Sources

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